5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid

C18H38O6Si2 — CID 58113138

IUPAC5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCC(=O)O
InChIInChI=1S/C18H38O6Si2/c1-6-7-15-25(2,3)24-26(4,5)16-9-12-22-13-14-23-18(21)11-8-10-17(19)20/h6-16H2,1-5H3,(H,19,20)
InChIKeyJJRAKXYMIBHUBZ-UHFFFAOYSA-N
MW406.67 g/mol
LogP4.42
Rot. Bonds16

About 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid

5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid (PubChem CID 58113138) has the molecular formula C18H38O6Si2 and a molecular weight of 406.67 g/mol. Its IUPAC name is 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid
PubChem CID58113138
Molecular FormulaC18H38O6Si2
Molecular Weight406.67 g/mol
Exact Mass406.22
IUPAC Name5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCC(=O)O
InChIInChI=1S/C18H38O6Si2/c1-6-7-15-25(2,3)24-26(4,5)16-9-12-22-13-14-23-18(21)11-8-10-17(19)20/h6-16H2,1-5H3,(H,19,20)
InChIKeyJJRAKXYMIBHUBZ-UHFFFAOYSA-N
XLogP4.42
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid?
The IUPAC name of 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid (CID 58113138) is 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid is CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid?
The InChIKey is JJRAKXYMIBHUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O6Si2/c1-6-7-15-25(2,3)24-26(4,5)16-9-12-22-13-14-23-18(21)11-8-10-17(19)20/h6-16H2,1-5H3,(H,19,20).
What are the key properties of 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid?
5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid has a molecular weight of 406.67 g/mol, XLogP of 4.42, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-5-oxopentanoic acid is sourced from PubChem (CID 58113138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).